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La–[18/19F]fluoride complexes: a novel addition to the radiofluorination family.

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Title:	La–[^18/19F]fluoride complexes: a novel addition to the radiofluorination family.
Authors:	Behe, Martin¹ (AUTHOR), Gruber, Stefan² (AUTHOR), Li, Cen³ (AUTHOR), Schreckenbach, Georg³ (AUTHOR), Mu, Linjing² (AUTHOR), Schottelius, Margret⁴ (AUTHOR), Faizova, Radmila^1,2,4 (AUTHOR)
Source:	Dalton Transactions: An International Journal of Inorganic Chemistry. 4/21/2026, Vol. 55 Issue 15, p5944-5951. 8p.
Subjects:	Fluorination, Ligands (Chemistry), Density functional theory, Radiopharmaceuticals, Positron emission tomography, Companion diagnostics, Coordinate covalent bond
Abstract:	Here, we report the synthesis and evaluation of La–[18/19F]fluoride coordination complexes with macrocyclic ligands, expanding the family of metal–[18F]fluoride coordination species for PET imaging applications. Fluorination of a series of La complexes with macrocyclic chelators (L = DOTA, DOTAM, macropa, and DOTpy) was explored, and the resulting products were characterized using 19F and 1H NMR, mass spectrometry, and X-ray spectroscopy. The stability of these complexes in water was found to inversely correlate with the electron-donating properties of the chelator. Notably, [LaF(L)]x complexes with macropa and DOTpy exhibited high stability in organic solution, with [LaF(DOTpy)]OTf2 also demonstrating stability in water. DFT study (PBE-D3(BJ)/TZ2P, COSMO) indicates that the ΔΔG magnitudes between [LaFL] and [La(H2O)L] could explain these results: much higher for DOTpy (21.66 kcal mol−1) and DOTAM (15.86 kcal mol−1) than for DOTA (6.78 kcal mol−1) and Macropa (8.05 kcal mol−1) supports the observed stabilities. Radiofluorination of [LaF(DOTpy)]OTf2 afforded [18F][LaF(DOTpy)]2+ in high radiochemical purity, representing the first example of a La–[18F]fluoride coordination complex. These findings expand the scope of metal–[18F]fluoride coordination chemistry and lay the groundwork for developing La/Ac-based fluoride complexes as theranostic pairs, with applications in 225Ac-based radiopharmaceuticals for personalized dosimetry and PET-guided therapy monitoring. [ABSTRACT FROM AUTHOR]
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Database:	Engineering Source

Description
Abstract:	Here, we report the synthesis and evaluation of La–[18/19F]fluoride coordination complexes with macrocyclic ligands, expanding the family of metal–[18F]fluoride coordination species for PET imaging applications. Fluorination of a series of La complexes with macrocyclic chelators (L = DOTA, DOTAM, macropa, and DOTpy) was explored, and the resulting products were characterized using 19F and 1H NMR, mass spectrometry, and X-ray spectroscopy. The stability of these complexes in water was found to inversely correlate with the electron-donating properties of the chelator. Notably, [LaF(L)]x complexes with macropa and DOTpy exhibited high stability in organic solution, with [LaF(DOTpy)]OTf2 also demonstrating stability in water. DFT study (PBE-D3(BJ)/TZ2P, COSMO) indicates that the ΔΔG magnitudes between [LaFL] and [La(H2O)L] could explain these results: much higher for DOTpy (21.66 kcal mol−1) and DOTAM (15.86 kcal mol−1) than for DOTA (6.78 kcal mol−1) and Macropa (8.05 kcal mol−1) supports the observed stabilities. Radiofluorination of [LaF(DOTpy)]OTf2 afforded [18F][LaF(DOTpy)]2+ in high radiochemical purity, representing the first example of a La–[18F]fluoride coordination complex. These findings expand the scope of metal–[18F]fluoride coordination chemistry and lay the groundwork for developing La/Ac-based fluoride complexes as theranostic pairs, with applications in 225Ac-based radiopharmaceuticals for personalized dosimetry and PET-guided therapy monitoring. [ABSTRACT FROM AUTHOR]
ISSN:	14779226
DOI:	10.1039/d5dt02645h